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	hartrees
Energy at 0K	-194.573567
Energy at 298.15K	-194.580798
HF Energy	-194.573567
Nuclear repulsion energy	163.971944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	3126	8.15
2	A₁	3220	3074	13.40
3	A₁	3056	2918	35.03
4	A₁	1528	1459	0.14
5	A₁	1515	1446	4.50
6	A₁	1312	1253	0.30
7	A₁	1121	1071	2.79
8	A₁	1063	1015	0.00
9	A₁	939	896	3.46
10	A₁	811	774	0.33
11	A₂	3066	2927	0.00
12	A₂	1240	1184	0.00
13	A₂	997	952	0.00
14	A₂	613	585	0.00
15	A₂	110	105	0.00
16	B₁	3085	2946	46.20
17	B₁	1155	1103	1.86
18	B₁	964	920	3.76
19	B₁	816	779	1.29
20	B₁	608	581	52.71
21	B₁	423	404	9.08
22	B₂	3264	3116	11.52
23	B₂	3043	2905	36.30
24	B₂	1497	1429	0.36
25	B₂	1457	1391	2.58
26	B₂	1343	1283	6.31
27	B₂	1316	1256	2.91
28	B₂	1097	1048	1.16
29	B₂	937	894	15.57
30	B₂	721	689	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.263
C2	0.000	1.142	0.501
C3	0.000	-1.142	0.501
C4	0.000	0.768	-0.957
C5	0.000	-0.768	-0.957
H6	0.000	0.000	2.349
H7	0.000	2.201	0.722
H8	0.000	-2.201	0.722
H9	0.874	1.182	-1.475
H10	-0.874	1.182	-1.475
H11	0.874	-1.182	-1.475
H12	-0.874	-1.182	-1.475

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3728	1.3728	2.3496	2.3496	1.0856	2.2665	2.2665	3.1084	3.1084	3.1084	3.1084
C2	1.3728		2.2840	1.5056	2.4036	2.1719	1.0817	3.3503	2.1618	2.1618	3.1740	3.1740
C3	1.3728	2.2840		2.4036	1.5056	2.1719	3.3503	1.0817	3.1740	3.1740	2.1618	2.1618
C4	2.3496	1.5056	2.4036		1.5368	3.3941	2.2074	3.4114	1.0972	1.0972	2.1995	2.1995
C5	2.3496	2.4036	1.5056	1.5368		3.3941	3.4114	2.2074	2.1995	2.1995	1.0972	1.0972
H6	1.0856	2.1719	2.1719	3.3941	3.3941		2.7368	2.7368	4.0972	4.0972	4.0972	4.0972
H7	2.2665	1.0817	3.3503	2.2074	3.4114	2.7368		4.4019	2.5752	2.5752	4.1279	4.1279
H8	2.2665	3.3503	1.0817	3.4114	2.2074	2.7368	4.4019		4.1279	4.1279	2.5752	2.5752
H9	3.1084	2.1618	3.1740	1.0972	2.1995	4.0972	2.5752	4.1279		1.7480	2.3645	2.9405
H10	3.1084	2.1618	3.1740	1.0972	2.1995	4.0972	2.5752	4.1279	1.7480		2.9405	2.3645
H11	3.1084	3.1740	2.1618	2.1995	1.0972	4.0972	4.1279	2.5752	2.3645	2.9405		1.7480
H12	3.1084	3.1740	2.1618	2.1995	1.0972	4.0972	4.1279	2.5752	2.9405	2.3645	1.7480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.340	C1	C2	H7	134.513
C1	C3	C5	109.340	C1	C3	H8	134.513
C2	C1	C3	112.586	C2	C1	H6	123.707
C2	C4	C5	104.367	C2	C4	H9	111.348
C2	C4	H10	111.348	C3	C1	H6	123.707
C3	C5	C4	104.367	C3	C5	H11	111.348
C3	C5	H12	111.348	C4	C2	H7	116.147
C4	C5	H11	112.160	C4	C5	H12	112.160
C5	C3	H8	116.147	C5	C4	H9	112.160
C5	C4	H10	112.160	H9	C4	H10	105.613
H11	C5	H12	105.613

All results from a given calculation for C₅H₇ (cyclopentenyl radical)

using model chemistry: B1B95/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.102
2	C	-0.170
3	C	-0.170
4	C	-0.350
5	C	-0.350
6	H	0.151
7	H	0.158
8	H	0.158
9	H	0.169
10	H	0.169
11	H	0.169
12	H	0.169

<r²>	98.629
(<r²>)^1/2	9.931

All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₅H₇ (cyclopentenyl radical)